error with examples jobs
Just Got Here
1:31:14 PM PDT - Fri, Apr 19th 2013
Hi, just compile NWChem, but when I try to run the examples I get the following error:

 An error occured while trying to read or write to disk space
 ------------------------------------------------------------------------
0:0:ssread: end of file reading from unit:: 32
(rank:0 hostname:sparta pid:16063):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
 For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation


  0: ARMCI aborting 32 (0x20).
 For further details see manual


could help me with this error, thanks

Forum Vet
4:34:54 PM PDT - Fri, Apr 19th 2013
There is not much to go on here. Additional information is needed:

- Which example fails?

- What hardware are you running on?

- What was your compile environment?

Just Got Here
8:57:26 AM PDT - Mon, Apr 22nd 2013
Hi, thanks for your answers, this is my compilation variables:

export NWCHEM_TOP=/home/mauricio/NWCHEM/nwchem-6.1.1-src
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=MPI2
export USE_MPI y
export USE_MPIF y
export USE_MPIF4 y
export MPI_LOC=/usr/lib/openmpi
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include 
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
export NWCHEM_MODULES="all"
export USE_SCALAPACK y
export SCALAPACK=/usr/lib
cd $NWCHEM_TOP/src
make nwchem_config
make FC=gfortran


This fails with all examples

My hardware is:

AMD FX(tm)-8120 Eight-Core Processor
RAM 10GB
2 GPU Geforce 480GTX
HD 1 TB

Debian Wheezy 64 bits

Thanks

Forum Vet
4:01:11 PM PDT - Mon, Apr 22nd 2013
MPI2
Mauricio
ARMCI_NETWORK=MPI2 might be one the of the causes of your failures.
MPI should not be chose as ARMCI_NETWORK, please try MPI-MT, instead.

A second problem in your settings is that you have forgotten the "=" sing in the MPI related env. variables;
in other words
export USE_MPI y
export USE_MPIF y
export USE_MPIF4 y
should be changed
to
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y

Cheers, Edo


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